SCHEMBL25100437

SCHEMBL25100437

CN[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
SIRT2 Q8IXJ6 11/20 0.41
SIRT1 Q96EB6 10/20 0.41
SIRT3 Q9NTG7 3/20 0.41
SIRT5 Q9NXA8 3/20 0.41
SPHK1 Q9NYA1 1/20 0.40
ADAM10 O14672 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM8 P78325 1/20 0.39
ADAM17 P78536 1/20 0.39
TGM2 P21980 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24263882 0.90 SIRT2 (0.40) ROCK2SIRT2SIRT1SIRT3SIRT5
SCHEMBL21534077 0.90 SIRT2 (0.40) ROCK2SIRT2SIRT1SIRT3SIRT5
SCHEMBL19604392 0.90 SIRT2 (0.40) ROCK2SIRT2SIRT1SIRT3SIRT5
SCHEMBL21167799 0.89 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL19443237 0.88 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL25100584 0.88 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL20327986 0.88 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL20798924 0.87 SIRT2 (0.41) ROCK2SIRT2SIRT1SIRT3SIRT5
SCHEMBL21784542 0.87 SIRT2 (0.41) ROCK2SIRT2SIRT1SIRT3SIRT5
SCHEMBL18823531 0.87 SIRT2 (0.41) ROCK2SIRT2SIRT1SIRT3SIRT5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596693-B2 Antibody-drug conjugates and uses thereof MABPLEX INTERNATIONAL CO., LTD (CN) 2023-03-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11596693-B2 Antibody-drug conjugates and uses thereof DARS1, CD2, FCGR2A ROCK2 909/4885SIRT2 2895/4885SIRT1 3268/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.